SMILES:c1c(nc(c(n1)Br)N)Cl	

FORMULA: C4H3BrClN3
MASS: 208.4437
EXACT MASS: 206.9198868
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5108     0.0000 
   N   3    2.6207     1.5176     0.0000 
   C   4    3.0352     2.6325     1.5177     0.0000 
   C   5    2.6325     3.0352     2.6207     1.5108     0.0000 
   N   6    1.5176     2.6207     3.0216     2.6207     1.5177     0.0000 
  Cl   7    2.6207     1.5177     2.6325     4.0204     4.5529     4.0075 
   N   8    4.5528     4.0203     2.6325     1.5176     2.6207     4.0075 
  Br   9    4.0203     4.5528     4.0075     2.6207     1.5176     2.6325 

             Cl   7      N   8     Br   9
              ---------------------------------
  Cl   7    0.0000 
   N   8    5.2650     0.0000 
  Br   9    6.0704     3.0216     0.0000 



ATOMIC CHARGES
   C   1    0.1302093261
   C   2    0.1589510640
   N   3   -0.2125754857
   C   4    0.1946252434
   C   5    0.1500599539
   N   6   -0.2316915919
  Cl   7   -0.0596207767
   N   8   -0.1050010298
  Br   9   -0.0249567033


BOND ANGLES
   7    2    3   Cl  Car  Nar    120.297
   2    3    4  Car  Nar  Car    120.297
   8    4    5  Npl  Car  Car    119.853
   4    5    6  Car  Car  Nar    119.851
   4    5    9  Car  Car   Br    119.853
   9    5    6   Br  Car  Nar    120.297
   5    6    1  Car  Nar  Car    120.297
   3    2    7  Nar  Car   Cl    120.297
   5    4    8  Car  Car  Npl    119.853
   6    5    9  Nar  Car   Br    120.297


TORSION ANGLES
   6    1    2    3      0.026
   6    1    2    7    179.974
   1    2    3    4      0.026
   7    2    3    4    179.974
   2    3    4    5      0.026
   2    3    4    8    179.974
   3    4    5    6      0.026
   3    4    5    9    179.974
   8    4    5    6    179.974
   8    4    5    9      0.026
   4    5    6    1      0.026
   9    5    6    1    179.974
   5    6    1    2      0.026